3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one
TL;DR: 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one (CAS 28010-91-5) is a chemical compound with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[bis(2-chloroethyl)amino]-1-(2-chlorophenyl)prop-2-en-1-one
Also Known As: 6-Methoxy-3,3-dimethylindan-5-ol, 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one, Acrylophenone, 3-[bis(2-chloroethyl)amino]-2'-chloro-, 2-Propen-1-one, 3-(bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-, 2-Propen-1-one, 3-[bis(2-chloroethyl)amino]-1-(2-chlorophenyl)-
| Molecular Formula | C13H14Cl3NO |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 3.816 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.0141 |
| Heavy Atoms | 18 |
| Complexity | 414.4523 |
Chemical Identifiers
| CAS Number | 28010-91-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)/C=C/N(CCCl)CCCl)Cl |
Product Overview
3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one (CAS 28010-91-5), with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol. IUPAC: (E)-3-[bis(2-chloroethyl)amino]-1-(2-chlorophenyl)prop-2-en-1-one.
Chemical Property Profile of 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one
Property Insights of 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one
The XLogP value of 3.816 indicates that 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one?
The CAS number of 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one is 28010-91-5.
What is the molecular formula of 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one?
The molecular formula of 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one is C13H14Cl3NO.
What is the molecular weight of 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one?
The molecular weight of 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one is 305.01 g/mol.
Where can I buy 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one?
You can request a quote for 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bis(2-chloroethyl)amino)-1-(2-chlorophenyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.